2-phenyl-5-propyl-4H-pyrazol-3-one

C12H14N2O — CID 608697

IUPAC2-phenyl-5-propyl-4H-pyrazol-3-one
SMILESCCCC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C12H14N2O/c1-2-6-10-9-12(15)14(13-10)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9H2,1H3
InChIKeyDXQSVRLYPGKQNS-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.58
Rot. Bonds3

About 2-phenyl-5-propyl-4H-pyrazol-3-one

2-phenyl-5-propyl-4H-pyrazol-3-one (PubChem CID 608697) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-phenyl-5-propyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-phenyl-5-propyl-4H-pyrazol-3-one
PubChem CID608697
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-phenyl-5-propyl-4H-pyrazol-3-one
SMILESCCCC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C12H14N2O/c1-2-6-10-9-12(15)14(13-10)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9H2,1H3
InChIKeyDXQSVRLYPGKQNS-UHFFFAOYSA-N
XLogP2.58
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-propyl-4H-pyrazol-3-one?
The IUPAC name of 2-phenyl-5-propyl-4H-pyrazol-3-one (CID 608697) is 2-phenyl-5-propyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-phenyl-5-propyl-4H-pyrazol-3-one?
The canonical SMILES for 2-phenyl-5-propyl-4H-pyrazol-3-one is CCCC1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of 2-phenyl-5-propyl-4H-pyrazol-3-one?
The InChIKey is DXQSVRLYPGKQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-6-10-9-12(15)14(13-10)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9H2,1H3.
What are the key properties of 2-phenyl-5-propyl-4H-pyrazol-3-one?
2-phenyl-5-propyl-4H-pyrazol-3-one has a molecular weight of 202.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-propyl-4H-pyrazol-3-one is sourced from PubChem (CID 608697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).